# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoPb2Pd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.406671057e+02 3.406671057e+02 1.30 3.174978005e+02 3.174978005e+02 1.32 2.959627416e+02 2.959627416e+02 1.34 2.759331776e+02 2.759331776e+02 1.36 2.572900513e+02 2.572900513e+02 1.38 2.399240330e+02 2.399240330e+02 1.40 2.237362601e+02 2.237362601e+02 1.42 2.086384095e+02 2.086384095e+02 1.44 1.945514945e+02 1.945514945e+02 1.46 1.814039046e+02 1.814039046e+02 1.48 1.691294890e+02 1.691294890e+02 1.50 1.576662309e+02 1.576662309e+02 1.52 1.469557035e+02 1.469557035e+02 1.54 1.369432044e+02 1.369432044e+02 1.56 1.275781048e+02 1.275781048e+02 1.58 1.188140683e+02 1.188140683e+02 1.60 1.106089343e+02 1.106089343e+02 1.62 1.029243285e+02 1.029243285e+02 1.64 9.572513511e+01 9.572513511e+01 1.66 8.897904502e+01 8.897904502e+01 1.68 8.265618601e+01 8.265618601e+01 1.70 7.673680437e+01 7.673680437e+01 1.72 7.121789961e+01 7.121789961e+01 1.74 6.607424974e+01 6.607424974e+01 1.76 6.127929079e+01 6.127929079e+01 1.78 5.680825028e+01 5.680825028e+01 1.80 5.263815291e+01 5.263815291e+01 1.82 4.874777087e+01 4.874777087e+01 1.84 4.511755660e+01 4.511755660e+01 1.86 4.172956636e+01 4.172956636e+01 1.88 3.856740335e+01 3.856740335e+01 1.90 3.561611697e+01 3.561611697e+01 1.92 3.286202754e+01 3.286202754e+01 1.94 3.029251539e+01 3.029251539e+01 1.96 2.789580740e+01 2.789580740e+01 1.98 2.566081864e+01 2.566081864e+01 2.00 2.357705284e+01 2.357705284e+01 2.02 2.163455514e+01 2.163455514e+01 2.04 1.982390129e+01 1.982390129e+01 2.06 1.813621339e+01 1.813621339e+01 2.08 1.656318755e+01 1.656318755e+01 2.10 1.509710603e+01 1.509710603e+01 2.12 1.373083586e+01 1.373083586e+01 2.14 1.245779871e+01 1.245779871e+01 2.16 1.127192631e+01 1.127192631e+01 2.18 1.016760987e+01 1.016760987e+01 2.20 9.139646897e+00 9.139646897e+00 2.22 8.183197737e+00 8.183197737e+00 2.24 7.293747510e+00 7.293747510e+00 2.26 6.467074691e+00 6.467074691e+00 2.28 5.699225892e+00 5.699225892e+00 2.30 4.986488995e+00 4.986488995e+00 2.32 4.325366751e+00 4.325366751e+00 2.34 3.712559678e+00 3.712559678e+00 2.36 3.144940846e+00 3.144940846e+00 2.38 2.619542047e+00 2.619542047e+00 2.40 2.133545798e+00 2.133545798e+00 2.42 1.684285278e+00 1.684285278e+00 2.44 1.269248982e+00 1.269248982e+00 2.46 8.860874974e-01 8.860874974e-01 2.48 5.326169342e-01 5.326169342e-01 2.50 2.068172477e-01 2.068172477e-01 2.52 -9.317466693e-02 -9.317466693e-02 2.54 -3.690757568e-01 -3.690757568e-01 2.56 -6.224758753e-01 -6.224758753e-01 2.58 -8.548769564e-01 -8.548769564e-01 2.60 -1.067612360e+00 -1.067612360e+00 2.62 -1.261917021e+00 -1.261917021e+00 2.64 -1.438955477e+00 -1.438955477e+00 2.66 -1.599820776e+00 -1.599820776e+00 2.68 -1.745589558e+00 -1.745589558e+00 2.70 -1.877506176e+00 -1.877506176e+00 2.72 -1.996401972e+00 -1.996401972e+00 2.74 -2.103005057e+00 -2.103005057e+00 2.76 -2.197983563e+00 -2.197983563e+00 2.78 -2.281964895e+00 -2.281964895e+00 2.80 -2.355563502e+00 -2.355563502e+00 2.82 -2.419378512e+00 -2.419378512e+00 2.84 -2.473995646e+00 -2.473995646e+00 2.86 -2.519994999e+00 -2.519994999e+00 2.88 -2.557976942e+00 -2.557976942e+00 2.90 -2.588533931e+00 -2.588533931e+00 2.92 -2.612237870e+00 -2.612237870e+00 2.94 -2.629638362e+00 -2.629638362e+00 2.96 -2.641259611e+00 -2.641259611e+00 2.98 -2.647597199e+00 -2.647597199e+00 3.00 -2.649115801e+00 -2.649115801e+00 3.02 -2.646248439e+00 -2.646248439e+00 3.04 -2.639396471e+00 -2.639396471e+00 3.06 -2.628933854e+00 -2.628933854e+00 3.08 -2.615204630e+00 -2.615204630e+00 3.10 -2.598528218e+00 -2.598528218e+00 3.12 -2.579199882e+00 -2.579199882e+00 3.14 -2.557499276e+00 -2.557499276e+00 3.16 -2.533741307e+00 -2.533741307e+00 3.18 -2.508162194e+00 -2.508162194e+00 3.20 -2.480927015e+00 -2.480927015e+00 3.22 -2.452200911e+00 -2.452200911e+00 3.24 -2.422144322e+00 -2.422144322e+00 3.26 -2.390908597e+00 -2.390908597e+00 3.28 -2.358632872e+00 -2.358632872e+00 3.30 -2.325442698e+00 -2.325442698e+00 3.32 -2.291448824e+00 -2.291448824e+00 3.34 -2.256736507e+00 -2.256736507e+00 3.36 -2.221375667e+00 -2.221375667e+00 3.38 -2.185433558e+00 -2.185433558e+00 3.40 -2.148975523e+00 -2.148975523e+00 3.42 -2.112066813e+00 -2.112066813e+00 3.44 -2.074770728e+00 -2.074770728e+00 3.46 -2.037149685e+00 -2.037149685e+00 3.48 -1.999264315e+00 -1.999264315e+00 3.50 -1.961172843e+00 -1.961172843e+00 3.52 -1.922930527e+00 -1.922930527e+00 3.54 -1.884589244e+00 -1.884589244e+00 3.56 -1.846197326e+00 -1.846197326e+00 3.58 -1.807799651e+00 -1.807799651e+00 3.60 -1.769438030e+00 -1.769438030e+00 3.62 -1.731151839e+00 -1.731151839e+00 3.64 -1.692978825e+00 -1.692978825e+00 3.66 -1.654955981e+00 -1.654955981e+00 3.68 -1.617120334e+00 -1.617120334e+00 3.70 -1.579509483e+00 -1.579509483e+00 3.72 -1.542161761e+00 -1.542161761e+00 3.74 -1.505115940e+00 -1.505115940e+00 3.76 -1.468410497e+00 -1.468410497e+00 3.78 -1.432082567e+00 -1.432082567e+00 3.80 -1.396166779e+00 -1.396166779e+00 3.82 -1.360694190e+00 -1.360694190e+00 3.84 -1.325691518e+00 -1.325691518e+00 3.86 -1.291180789e+00 -1.291180789e+00 3.88 -1.257179414e+00 -1.257179414e+00 3.90 -1.223700644e+00 -1.223700644e+00 3.92 -1.190753536e+00 -1.190753536e+00 3.94 -1.158346939e+00 -1.158346939e+00 3.96 -1.126485468e+00 -1.126485468e+00 3.98 -1.095173801e+00 -1.095173801e+00 4.00 -1.064416508e+00 -1.064416508e+00 4.02 -1.034218652e+00 -1.034218652e+00 4.04 -1.004586225e+00 -1.004586225e+00 4.06 -9.755263788e-01 -9.755263788e-01 4.08 -9.470474525e-01 -9.470474525e-01 4.10 -9.191568651e-01 -9.191568651e-01 4.12 -8.918686583e-01 -8.918686583e-01 4.14 -8.651903986e-01 -8.651903986e-01 4.16 -8.391312845e-01 -8.391312845e-01 4.18 -8.136991237e-01 -8.136991237e-01 4.20 -7.888997080e-01 -7.888997080e-01 4.22 -7.647363236e-01 -7.647363236e-01 4.24 -7.412094247e-01 -7.412094247e-01 4.26 -7.183164590e-01 -7.183164590e-01 4.28 -6.960518095e-01 -6.960518095e-01 4.30 -6.744068052e-01 -6.744068052e-01 4.32 -6.533697710e-01 -6.533697710e-01 4.34 -6.329261066e-01 -6.329261066e-01 4.36 -6.130584151e-01 -6.130584151e-01 4.38 -5.937467096e-01 -5.937467096e-01 4.40 -5.749687237e-01 -5.749687237e-01 4.42 -5.567003345e-01 -5.567003345e-01 4.44 -5.389160834e-01 -5.389160834e-01 4.46 -5.215897624e-01 -5.215897624e-01 4.48 -5.046950290e-01 -5.046950290e-01 4.50 -4.882060124e-01 -4.882060124e-01 4.52 -4.720978869e-01 -4.720978869e-01 4.54 -4.563474000e-01 -4.563474000e-01 4.56 -4.409333512e-01 -4.409333512e-01 4.58 -4.258370228e-01 -4.258370228e-01 4.60 -4.110425636e-01 -4.110425636e-01 4.62 -3.965373184e-01 -3.965373184e-01 4.64 -3.823120900e-01 -3.823120900e-01 4.66 -3.683613123e-01 -3.683613123e-01 4.68 -3.546831063e-01 -3.546831063e-01 4.70 -3.412791938e-01 -3.412791938e-01 4.72 -3.281546469e-01 -3.281546469e-01 4.74 -3.153174692e-01 -3.153174692e-01 4.76 -3.027780198e-01 -3.027780198e-01 4.78 -2.905483146e-01 -2.905483146e-01 4.80 -2.786397454e-01 -2.786397454e-01 4.82 -2.670685836e-01 -2.670685836e-01 4.84 -2.558454374e-01 -2.558454374e-01 4.86 -2.449814714e-01 -2.449814714e-01 4.88 -2.344861255e-01 -2.344861255e-01 4.90 -2.243667659e-01 -2.243667659e-01 4.92 -2.146284587e-01 -2.146284587e-01 4.94 -2.052738357e-01 -2.052738357e-01 4.96 -1.963030244e-01 -1.963030244e-01 4.98 -1.877136220e-01 -1.877136220e-01 5.00 -1.795007096e-01 -1.795007096e-01 5.02 -1.716569199e-01 -1.716569199e-01 5.04 -1.641725766e-01 -1.641725766e-01 5.06 -1.570359282e-01 -1.570359282e-01 5.08 -1.502334744e-01 -1.502334744e-01 5.10 -1.437503914e-01 -1.437503914e-01 5.12 -1.375710244e-01 -1.375710244e-01 5.14 -1.316794068e-01 -1.316794068e-01 5.16 -1.260597681e-01 -1.260597681e-01 5.18 -1.206969809e-01 -1.206969809e-01 5.20 -1.155769178e-01 -1.155769178e-01 5.22 -1.106866968e-01 -1.106866968e-01 5.24 -1.060148040e-01 -1.060148040e-01 5.26 -1.015510967e-01 -1.015510967e-01 5.28 -9.728670112e-02 -9.728670112e-02 5.30 -9.321368418e-02 -9.321368418e-02 5.32 -8.932436984e-02 -8.932436984e-02 5.34 -8.561270661e-02 -8.561270661e-02 5.36 -8.207301050e-02 -8.207301050e-02 5.38 -7.869955192e-02 -7.869955192e-02 5.40 -7.548638948e-02 -7.548638948e-02 5.42 -7.242725465e-02 -7.242725465e-02 5.44 -6.951549139e-02 -6.951549139e-02 5.46 -6.674404841e-02 -6.674404841e-02 5.48 -6.410551613e-02 -6.410551613e-02 5.50 -6.159219783e-02 -6.159219783e-02 5.52 -5.919620290e-02 -5.919620290e-02 5.54 -5.690955087e-02 -5.690955087e-02 5.56 -5.472427638e-02 -5.472427638e-02 5.58 -5.263252769e-02 -5.263252769e-02 5.60 -5.062665364e-02 -5.062665364e-02 5.62 -4.869927661e-02 -4.869927661e-02 5.64 -4.684335060e-02 -4.684335060e-02 5.66 -4.505220543e-02 -4.505220543e-02 5.68 -4.331957889e-02 -4.331957889e-02 5.70 -4.163963914e-02 -4.163963914e-02 5.72 -4.000700014e-02 -4.000700014e-02 5.74 -3.841673246e-02 -3.841673246e-02 5.76 -3.686437188e-02 -3.686437188e-02 5.78 -3.534592759e-02 -3.534592759e-02 5.80 -3.385789021e-02 -3.385789021e-02 5.82 -3.239724235e-02 -3.239724235e-02 5.84 -3.096147030e-02 -3.096147030e-02 5.86 -2.954857655e-02 -2.954857655e-02 5.88 -2.815709211e-02 -2.815709211e-02 5.90 -2.678608680e-02 -2.678608680e-02 5.92 -2.543517533e-02 -2.543517533e-02 5.94 -2.410451668e-02 -2.410451668e-02 5.96 -2.279480406e-02 -2.279480406e-02 5.98 -2.150724395e-02 -2.150724395e-02 6.00 -2.024351916e-02 -2.024351916e-02